methyl-[(2R)-2-oxidanyl-3-(4-pentanoylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[(2R)-2-oxidanyl-3-(4-pentanoylpiperazin-1-yl)propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(4-pentanoylpiperazin-1-yl)propyl]-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(1-oxopentyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-pentanoylpiperazin-1-yl)propyl]-methylazanium Traditional Name: [(2R)-2-hydroxy-3-(4-valerylpiperazino)propyl]-methyl-ammonium Formula: C13H28N3O2+ MolecularWeight: 258.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)CC(C[NH2+]C)O

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C[C@@H](C[NH2+]C)O

InChI

InChI=1S/C13H27N3O2/c1-3-4-5-13(18)16-8-6-15(7-9-16)11-12(17)10-14-2/h12,14,17H,3-11H2,1-2H3/p+1/t12-/m1/s1